4-[4-cyano-3-(trifluoromethyl)phenyl]-N-(4-fluorophenyl)-2-{[(pyridin-3-yl)oxy]methyl}piperazine-1-carboxamide
Chemical Structure Depiction of
4-[4-cyano-3-(trifluoromethyl)phenyl]-N-(4-fluorophenyl)-2-{[(pyridin-3-yl)oxy]methyl}piperazine-1-carboxamide
4-[4-cyano-3-(trifluoromethyl)phenyl]-N-(4-fluorophenyl)-2-{[(pyridin-3-yl)oxy]methyl}piperazine-1-carboxamide
Compound characteristics
| Compound ID: | S956-0488 |
| Compound Name: | 4-[4-cyano-3-(trifluoromethyl)phenyl]-N-(4-fluorophenyl)-2-{[(pyridin-3-yl)oxy]methyl}piperazine-1-carboxamide |
| Molecular Weight: | 499.47 |
| Molecular Formula: | C25 H21 F4 N5 O2 |
| Smiles: | C1CN(C(CN1c1ccc(C#N)c(c1)C(F)(F)F)COc1cccnc1)C(Nc1ccc(cc1)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9831 |
| logD: | 3.9755 |
| logSw: | -4.0057 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.349 |
| InChI Key: | BOTDSNIJHCMANE-OAQYLSRUSA-N |